| Abstract: | Relativistic quantum calculations which include spin-orbit interactions and correlations were carried out for the low-lying states of ICl. Spectroscopic properties (R3, ωe, Te) were calculated for these states. Based on the energies and wave functions both the absorption and emission spectra of ICl in the region below 45000 cm−1 were interpreted. These calculations confirm the predissociation of the B0+ state and the existence of a second minimum (B′0+) in the 0+(II) state. Properties of the 0−(I)(3Π0−) state which is yet to be observed were also predicted. The calculated properties for the 2(I)(3Π2) state are in very good agreement with the properties obtained by the very recent characterization of the A′ state by optical three-photon resonance. The continuous and diffuse absorption spectra of ICl in the region below 45000 cm−1 were interpreted and assigned to the appropriate electronic transitions. |
